1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate(CAS: 69525-81-1)

1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is a crystalline compound with a molecular weight of approximately 402.4 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound exhibits moderate reactivity towards nucleophiles and is stable under normal laboratory conditions. It crystallizes in the monoclinic system and has a melting point around 180°C.

1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is synthesized through a multi-step process involving the alkylation of a thienyl acetylene with a hexahydropyrimidine derivative. The reaction is catalyzed by a palladium complex, and the product is then converted to the citrate salt form. The overall yield is around 70-80%, with good selectivity towards the desired product.

1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is primarily used in pharmaceuticals, where it serves as a key intermediate in the synthesis of antiproliferative and cytotoxic agents. It is also explored in the development of novel materials for sensors and semiconductors due to its structural and electronic properties.

When handling 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled with caution and cleaned up using appropriate procedures. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.